SCHEMBL983516

SCHEMBL983516

CC1(C)OB(c2cc(F)ccc2OCC2CC2)OC1(C)C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.47
HTR2A P28223 4/20 0.47
HTR2B P41595 4/20 0.47
BRD4 O60885 1/20 0.38
LPL P06858 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
RIPK1 Q13546 1/20 0.36
MGLL Q99685 2/20 0.34
RBP4 P02753 2/20 0.34
KDM2B Q8NHM5 1/20 0.34
PHF8 Q9UPP1 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL981760 0.91 HTR2C (0.45) HTR2CHTR2AHTR2BBRD4LPL
SCHEMBL984993 0.85 CNR2 (0.35) HTR2CHTR2AHTR2BRIPK1KDM2B
SCHEMBL20154965 0.84 HTR2C (0.36) HTR2CHTR2AHTR2BRIPK1
SCHEMBL1439046 0.84 PDE4B (0.38) HTR2CHTR2AHTR2BPDE4APDE4B
SCHEMBL1438849 0.84 TSHR (0.38) HTR2CHTR2AHTR2BLPLLIPG
SCHEMBL986207 0.83 RIPK1 (0.46) HTR2CHTR2AHTR2BLPLLIPG
SCHEMBL984008 0.83 PDE4B (0.40) PDE4APDE4BPDE4CPDE4D
SCHEMBL1438795 0.83 LPL (0.35) HTR2CHTR2AHTR2BLPLLIPG
SCHEMBL19931197 0.82 P2RX3 (0.34) HTR2CHTR2AHTR2BRIPK1
SCHEMBL1440537 0.82 PDE4B (0.35) HTR2CHTR2AHTR2BRIPK1PDE4A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9376442-B2 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2016-06-28 US disclosed
EP-2970262-A1 BROMODOMAIN INHIBITORS AbbVie Inc. (US) 2016-01-20 EP disclosed
CN-105164127-A Bromodomain inhibitors ABBVIE INC 2015-12-16 CN disclosed
US-9050346-B2 Bromodomain inhibitors ABBVIE INC. (US) 2015-06-09 US disclosed
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES ASTRAZENECA AB (SE) 2015-03-12 US disclosed
US-8927557-B2 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2015-01-06 US disclosed
EP-2470536-B1 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2014-11-12 EP disclosed
WO-2014164771-A1 BROMODOMAIN INHIBITORS ABBVIE INC. (US) 2014-10-09 WO disclosed
US-20140256705-A1 BROMODOMAIN INHIBITORS ABBVIE INC. 2014-09-11 US disclosed
US-8816085-B2 Methylpyrrolopyridinecarboxamides TAKEDA GMBH (DE) 2014-08-26 US disclosed
US-8445501-B2 Substituted 7-carboxamido-pyrrolo[3,2-d]pyrimidines TAKEDA GMBH (DE) 2013-05-21 US disclosed
EP-2470536-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES Nycomed GmbH (DE) 2012-07-04 EP disclosed
EP-2470531-A1 METHYLPYRROLOPYRIDINECARBOXAMIDES Nycomed GmbH (DE) 2012-07-04 EP disclosed
US-20120149721-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2012-06-14 US disclosed
US-20120142633-A1 METHYLPYRROLOPYRIDINECARBOXAMIDES NYCOMED GMBH (DE) 2012-06-07 US disclosed
WO-2011023696-A1 METHYLPYRROLOPYRIDINECARBOXAMIDES NYCOMED GMBH (DE) 2011-03-03 WO disclosed
WO-2011023693-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2011-03-03 WO disclosed
US-20110021479-A1 PYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2011-01-27 US disclosed
EP-2247594-A1 PYRROLOPYRIMIDINECARBOXAMIDES Nycomed GmbH (DE) 2010-11-10 EP disclosed
WO-2009106531-A1 PYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2009-09-03 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110021479-A1 PYRROLOPYRIMIDINECARBOXAMIDES PDE5A, PDE3A, PDE2A HTR2C 1834/4885HTR2A 3062/4885HTR2B 1921/4885
US-20140256705-A1 BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 HTR2C 2670/4885HTR2A 2279/4885HTR2B 2438/4885
US-20120142633-A1 METHYLPYRROLOPYRIDINECARBOXAMIDES PDE5A, PDE3A, PDE2A HTR2C 1128/4885HTR2A 1891/4885HTR2B 1305/4885
US-20120149721-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE5A, PDE12, PDE4A HTR2C 1115/4885HTR2A 2043/4885HTR2B 1383/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A HTR2C 2569/4885HTR2A 3746/4885HTR2B 2850/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.